benzhydryl 2-hydroxy-2,2-bis(4-methoxyphenyl)acetate

C29H26O5 — CID 3480592

IUPACbenzhydryl 2-hydroxy-2,2-bis(4-methoxyphenyl)acetate
SMILESCOc1ccc(C(O)(C(=O)OC(c2ccccc2)c2ccccc2)c2ccc(OC)cc2)cc1
InChIInChI=1S/C29H26O5/c1-32-25-17-13-23(14-18-25)29(31,24-15-19-26(33-2)20-16-24)28(30)34-27(21-9-5-3-6-10-21)22-11-7-4-8-12-22/h3-20,27,31H,1-2H3
InChIKeyAHLHSOZJUUFVFB-UHFFFAOYSA-N
MW454.52 g/mol
LogP5.27
Rot. Bonds8

About benzhydryl 2-hydroxy-2,2-bis(4-methoxyphenyl)acetate

benzhydryl 2-hydroxy-2,2-bis(4-methoxyphenyl)acetate (PubChem CID 3480592) has the molecular formula C29H26O5 and a molecular weight of 454.52 g/mol. Its IUPAC name is benzhydryl 2-hydroxy-2,2-bis(4-methoxyphenyl)acetate.

Molecular Properties

Compound Namebenzhydryl 2-hydroxy-2,2-bis(4-methoxyphenyl)acetate
PubChem CID3480592
Molecular FormulaC29H26O5
Molecular Weight454.52 g/mol
Exact Mass454.18
IUPAC Namebenzhydryl 2-hydroxy-2,2-bis(4-methoxyphenyl)acetate
SMILESCOc1ccc(C(O)(C(=O)OC(c2ccccc2)c2ccccc2)c2ccc(OC)cc2)cc1
InChIInChI=1S/C29H26O5/c1-32-25-17-13-23(14-18-25)29(31,24-15-19-26(33-2)20-16-24)28(30)34-27(21-9-5-3-6-10-21)22-11-7-4-8-12-22/h3-20,27,31H,1-2H3
InChIKeyAHLHSOZJUUFVFB-UHFFFAOYSA-N
XLogP5.27
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.52
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-hydroxy-1-(4-methoxyphenyl)-1-phenylpropan-2-one
CID 141100176
benzhydryl 2,2,2-triphenylacetate
CID 126186590
(4-methoxyphenyl)methyl 2-hydroxy-2,2-diphenylacetate
CID 16577341
2-amino-1,1-bis(4-methoxyphenyl)-2-phenylethanol
CID 18373848
(2S)-2-amino-1,1-bis(4-methoxyphenyl)-2-phenylethanol
CID 11187177
1-tert-butyl-4-[(4-methoxyphenyl)-phenylmethyl]benzene
CID 102293623
benzhydryl 4-[(4-methoxybenzoyl)amino]benzoate
CID 126182220
1-(4-methoxyphenyl)-1,2,2-triphenylethane-1,2-diol
CID 70611668
(2S)-2-(4-methoxyphenyl)-2-methyl-3,3-diphenylpropanal
CID 135005803
[4-[(4-methoxyphenyl)-diphenylmethyl]phenyl] acetate;[4-[1-(4-methoxyphenyl)-1-phenylethyl]phenyl] acetate;[4-[(4-methoxyphenyl)-phenylmethyl]phenyl] acetate
CID 161219499
benzhydryl (E)-2-cyano-3-(4-methoxyphenyl)prop-2-enoate
CID 7506296
[2-(dimethylamino)-1-phenylethyl] 2-hydroxy-2,2-diphenylacetate
CID 24834806

Frequently Asked Questions

What is the IUPAC name of benzhydryl 2-hydroxy-2,2-bis(4-methoxyphenyl)acetate?
The IUPAC name of benzhydryl 2-hydroxy-2,2-bis(4-methoxyphenyl)acetate (CID 3480592) is benzhydryl 2-hydroxy-2,2-bis(4-methoxyphenyl)acetate.
What is the SMILES notation for benzhydryl 2-hydroxy-2,2-bis(4-methoxyphenyl)acetate?
The canonical SMILES for benzhydryl 2-hydroxy-2,2-bis(4-methoxyphenyl)acetate is COc1ccc(C(O)(C(=O)OC(c2ccccc2)c2ccccc2)c2ccc(OC)cc2)cc1.
What is the InChIKey of benzhydryl 2-hydroxy-2,2-bis(4-methoxyphenyl)acetate?
The InChIKey is AHLHSOZJUUFVFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26O5/c1-32-25-17-13-23(14-18-25)29(31,24-15-19-26(33-2)20-16-24)28(30)34-27(21-9-5-3-6-10-21)22-11-7-4-8-12-22/h3-20,27,31H,1-2H3.
What are the key properties of benzhydryl 2-hydroxy-2,2-bis(4-methoxyphenyl)acetate?
benzhydryl 2-hydroxy-2,2-bis(4-methoxyphenyl)acetate has a molecular weight of 454.52 g/mol, XLogP of 5.27, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzhydryl 2-hydroxy-2,2-bis(4-methoxyphenyl)acetate is sourced from PubChem (CID 3480592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).